(Q50234063)

28 February 2018

title

Ab initio molecular dynamics for molecules with variable numbers of electrons. (English)

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28 February 2018

author name string

Ivano Tavernelli

series ordinal

1

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28 February 2018

Rodolphe Vuilleumier

series ordinal

2

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28 February 2018

Michiel Sprik

series ordinal

3

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28 February 2018

language of work or name

English

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publication date

14 May 2002

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28 February 2018

published in

Physical Review Letters

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28 February 2018

volume

88

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28 February 2018

issue

21

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28 February 2018

page(s)

213002

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28 February 2018

Unified Approach for Molecular Dynamics and Density-Functional Theory

cites work

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVLETT.88.213002

Autoionization in liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVLETT.88.213002

CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVLETT.88.213002

Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVLETT.88.213002

Ab initio simulation of charged slabs at constant chemical potential

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVLETT.88.213002

10.1103/PHYSREVLETT.88.213002

21 January 2018

Identifiers

DOI

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28 February 2018

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28 February 2018